REMARK  Name = BDB049297
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.505  -1.080  -0.228  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1        0.209  -0.584  -0.010  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1       -0.894  -1.415  -0.285  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1       -0.617  -2.694  -0.752  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -1.805  -3.341  -0.944  0.00  0.00    -0.345 N 
ATOM      6  H   LIG    1       -1.875  -4.290  -1.282  0.00  0.00    +0.167 HD
ATOM      7  C   LIG    1       -2.847  -2.512  -0.615  0.00  0.00    +0.093 A 
ATOM      8  N   LIG    1        0.588  -3.241  -0.986  0.00  0.00    -0.237 NA
ATOM      9  C   LIG    1       -2.317  -1.300  -0.204  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        1.610  -2.391  -0.707  0.00  0.00    +0.121 A 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1        5.011   1.296   0.564  0.00  0.00    +0.025 A 
ATOM     12  C   LIG    1        4.003   1.173   1.520  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1        2.869   0.390   1.269  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1        2.695  -0.258   0.037  0.00  0.00    -0.016 A 
ATOM     15  C   LIG    1        3.686  -0.078  -0.940  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        4.817   0.707  -0.685  0.00  0.00    +0.023 A 
BRANCH  11  17
ATOM     17  N   LIG    1        6.080   2.173   0.773  0.00  0.00    -0.358 N 
ATOM     18  H   LIG    1        6.894   1.973   0.200  0.00  0.00    +0.142 HD
ATOM     19  H   LIG    1        6.321   2.300   1.751  0.00  0.00    +0.142 HD
ENDBRANCH  11  17
ENDBRANCH   1  14
BRANCH   9  20
ATOM     20  C   LIG    1       -3.141  -0.173   0.200  0.00  0.00    -0.016 A 
ATOM     21  C   LIG    1       -2.899   1.102  -0.331  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -3.684   2.192   0.054  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1       -4.711   2.003   0.973  0.00  0.00    +0.117 A 
ATOM     24  C   LIG    1       -4.966   0.747   1.509  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1       -4.181  -0.343   1.123  0.00  0.00    +0.012 A 
BRANCH  23  26
ATOM     26  O   LIG    1       -5.502   3.038   1.378  0.00  0.00    -0.507 OA
ATOM     27  H   LIG    1       -5.212   3.845   0.922  0.00  0.00    +0.292 HD
ENDBRANCH  23  26
ENDBRANCH   9  20
TORSDOF 4